| SpectraBase Spectrum ID |
65ia613lYMp |
| Name |
Benzenebutanoic-carboxy,.beta.-13C2 acid |
| CAS Registry Number |
67519-33-9 |
| Comments |
Original formula: C8[13C]2H12O2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H12O2 |
| InChI |
InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)/i4+1,10+1 |
| InChIKey |
OBKXEAXTFZPCHS-CTGPMETMSA-N |
| Molecular Weight |
166.189 g/mol |
| SMILES |
O[13C](C[13CH2]Cc1ccccc1)=O |
| SPLASH |
splash10-0a4i-5900000000-67f7ddcbf522b1b5efe8 |
| Source of Spectrum |
H-61-1754-0 |
| Synonyms |
1,3-[¹³C]-4-Phenylbutanoic acid |
| Wiley ID |
85722 |
